N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide

C15H22N2O3S — CID 120507153

IUPACN-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
SMILESC[C@@H](CN)NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H22N2O3S/c1-11(10-16)17-15(18)7-8-21(19,20)14-6-5-12-3-2-4-13(12)9-14/h5-6,9,11H,2-4,7-8,10,16H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyBOIOOWRFVIMATO-NSHDSACASA-N
MW310.42 g/mol
LogP0.80
Rot. Bonds6

About N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide

N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide (PubChem CID 120507153) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
PubChem CID120507153
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
SMILESC[C@@H](CN)NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H22N2O3S/c1-11(10-16)17-15(18)7-8-21(19,20)14-6-5-12-3-2-4-13(12)9-14/h5-6,9,11H,2-4,7-8,10,16H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyBOIOOWRFVIMATO-NSHDSACASA-N
XLogP0.80
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide
CID 120826990
(2S)-2-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoylamino]hexanoic acid
CID 120614683
N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 119406690
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 86951195
N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
CID 119602669
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 55686659
5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one
CID 64642185
methyl (2R)-2-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoylamino]-3-(1H-indol-3-yl)propanoate
CID 55939911
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide
CID 71938729
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 55798758
6-(2,3-dihydro-1H-inden-5-ylsulfonyl)hexan-2-one
CID 64641999

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide (CID 120507153) is N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide is C[C@@H](CN)NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide?
The InChIKey is BOIOOWRFVIMATO-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(10-16)17-15(18)7-8-21(19,20)14-6-5-12-3-2-4-13(12)9-14/h5-6,9,11H,2-4,7-8,10,16H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide?
N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide has a molecular weight of 310.42 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide is sourced from PubChem (CID 120507153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).