(1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride

C20H27ClN2O4S2 — CID 157196656

IUPAC(1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride
SMILESCS(=O)(=O)Cl.CS(=O)(=O)N[C@@H]1CCc2ccccc21.N[C@@H]1CCc2ccccc21
InChIInChI=1S/C10H13NO2S.C9H11N.CH3ClO2S/c1-14(12,13)11-10-7-6-8-4-2-3-5-9(8)10;10-9-6-5-7-3-1-2-4-8(7)9;1-5(2,3)4/h2-5,10-11H,6-7H2,1H3;1-4,9H,5-6,10H2;1H3/t10-;9-;/m11./s1
InChIKeyAQIDMCWYNMXVTN-HNWRFUOOSA-N
MW459.03 g/mol
LogP3.04
Rot. Bonds2

About (1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride

(1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride (PubChem CID 157196656) has the molecular formula C20H27ClN2O4S2 and a molecular weight of 459.03 g/mol. Its IUPAC name is (1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride.

Molecular Properties

Compound Name(1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride
PubChem CID157196656
Molecular FormulaC20H27ClN2O4S2
Molecular Weight459.03 g/mol
Exact Mass458.11
IUPAC Name(1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride
SMILESCS(=O)(=O)Cl.CS(=O)(=O)N[C@@H]1CCc2ccccc21.N[C@@H]1CCc2ccccc21
InChIInChI=1S/C10H13NO2S.C9H11N.CH3ClO2S/c1-14(12,13)11-10-7-6-8-4-2-3-5-9(8)10;10-9-6-5-7-3-1-2-4-8(7)9;1-5(2,3)4/h2-5,10-11H,6-7H2,1H3;1-4,9H,5-6,10H2;1H3/t10-;9-;/m11./s1
InChIKeyAQIDMCWYNMXVTN-HNWRFUOOSA-N
XLogP3.04
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.03
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
CID 71934404
2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570832
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide
CID 130687139
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
cyclododecanamine;2,3-dihydro-1H-inden-1-amine
CID 157151284
N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61274952
N-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide
CID 165486716
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
3-chloro-N-(2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide
CID 43654489
methanesulfonic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine;hydrate
CID 140668931

Frequently Asked Questions

What is the IUPAC name of (1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride?
The IUPAC name of (1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride (CID 157196656) is (1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride.
What is the SMILES notation for (1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride?
The canonical SMILES for (1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride is CS(=O)(=O)Cl.CS(=O)(=O)N[C@@H]1CCc2ccccc21.N[C@@H]1CCc2ccccc21.
What is the InChIKey of (1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride?
The InChIKey is AQIDMCWYNMXVTN-HNWRFUOOSA-N. The full InChI is InChI=1S/C10H13NO2S.C9H11N.CH3ClO2S/c1-14(12,13)11-10-7-6-8-4-2-3-5-9(8)10;10-9-6-5-7-3-1-2-4-8(7)9;1-5(2,3)4/h2-5,10-11H,6-7H2,1H3;1-4,9H,5-6,10H2;1H3/t10-;9-;/m11./s1.
What are the key properties of (1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride?
(1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride has a molecular weight of 459.03 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride is sourced from PubChem (CID 157196656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).