3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide

C10H22N2O2S2 — CID 103063616

IUPAC3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NC1CCSC1
InChIInChI=1S/C10H22N2O2S2/c1-9(2)11-5-3-7-16(13,14)12-10-4-6-15-8-10/h9-12H,3-8H2,1-2H3
InChIKeyGUFHIKMGDROJFS-UHFFFAOYSA-N
MW266.43 g/mol
LogP0.80
Rot. Bonds7

About 3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide

3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide (PubChem CID 103063616) has the molecular formula C10H22N2O2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide
PubChem CID103063616
Molecular FormulaC10H22N2O2S2
Molecular Weight266.43 g/mol
Exact Mass266.11
IUPAC Name3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NC1CCSC1
InChIInChI=1S/C10H22N2O2S2/c1-9(2)11-5-3-7-16(13,14)12-10-4-6-15-8-10/h9-12H,3-8H2,1-2H3
InChIKeyGUFHIKMGDROJFS-UHFFFAOYSA-N
XLogP0.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide
CID 106086184
3-(propan-2-ylamino)-N-(thiolan-3-ylmethyl)propane-1-sulfonamide
CID 107297045
4-(methylamino)-N-(thian-3-yl)butane-1-sulfonamide
CID 106081409
N-(oxan-4-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114135293
N-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 63923373
N-(thiolan-3-yl)propane-2-sulfonamide
CID 103698011
N-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973998
N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114552097
N-(oxan-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106065217
N-(2-methyloxolan-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 82728846
N-(3-ethylcyclohexyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106068607
N-(4-methylsulfanylcyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 114123735

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide?
The IUPAC name of 3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide (CID 103063616) is 3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide is CC(C)NCCCS(=O)(=O)NC1CCSC1.
What is the InChIKey of 3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide?
The InChIKey is GUFHIKMGDROJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S2/c1-9(2)11-5-3-7-16(13,14)12-10-4-6-15-8-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide?
3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide has a molecular weight of 266.43 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 103063616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).