N-(2-amino-4-methylpentyl)-1,1-dioxothiolane-3-sulfonamide

C10H22N2O4S2 — CID 43606367

IUPACN-(2-amino-4-methylpentyl)-1,1-dioxothiolane-3-sulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H22N2O4S2/c1-8(2)5-9(11)6-12-18(15,16)10-3-4-17(13,14)7-10/h8-10,12H,3-7,11H2,1-2H3
InChIKeyXTYWVAHLKNAQFM-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.53
Rot. Bonds6

About N-(2-amino-4-methylpentyl)-1,1-dioxothiolane-3-sulfonamide

N-(2-amino-4-methylpentyl)-1,1-dioxothiolane-3-sulfonamide (PubChem CID 43606367) has the molecular formula C10H22N2O4S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(2-amino-4-methylpentyl)-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methylpentyl)-1,1-dioxothiolane-3-sulfonamide
PubChem CID43606367
Molecular FormulaC10H22N2O4S2
Molecular Weight298.43 g/mol
Exact Mass298.10
IUPAC NameN-(2-amino-4-methylpentyl)-1,1-dioxothiolane-3-sulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H22N2O4S2/c1-8(2)5-9(11)6-12-18(15,16)10-3-4-17(13,14)7-10/h8-10,12H,3-7,11H2,1-2H3
InChIKeyXTYWVAHLKNAQFM-UHFFFAOYSA-N
XLogP-0.53
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide
CID 83058487
N-(2-amino-4-methylpentyl)cyclopentanesulfonamide
CID 105361370
N-(2-methylpropoxy)-1,1-dioxothiolane-3-sulfonamide
CID 82715020
N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 113430482
1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
CID 43827643
N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 62659118
N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide
CID 83030738
1,1-dioxo-N-(2,2,2-trifluoroethoxy)thiolane-3-sulfonamide
CID 82715812
3-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methylpropanethioamide
CID 55102041
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate
CID 43624219
N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide
CID 43827633
N-(4-chloro-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide
CID 66091585

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylpentyl)-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-(2-amino-4-methylpentyl)-1,1-dioxothiolane-3-sulfonamide (CID 43606367) is N-(2-amino-4-methylpentyl)-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-(2-amino-4-methylpentyl)-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-(2-amino-4-methylpentyl)-1,1-dioxothiolane-3-sulfonamide is CC(C)CC(N)CNS(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-amino-4-methylpentyl)-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is XTYWVAHLKNAQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S2/c1-8(2)5-9(11)6-12-18(15,16)10-3-4-17(13,14)7-10/h8-10,12H,3-7,11H2,1-2H3.
What are the key properties of N-(2-amino-4-methylpentyl)-1,1-dioxothiolane-3-sulfonamide?
N-(2-amino-4-methylpentyl)-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 298.43 g/mol, XLogP of -0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylpentyl)-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 43606367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).