1-(cyclopropylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide

C11H22N2O2S2 — CID 106089017

IUPAC1-(cyclopropylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)NCC1CCSC1
InChIInChI=1S/C11H22N2O2S2/c1-9(6-12-11-2-3-11)17(14,15)13-7-10-4-5-16-8-10/h9-13H,2-8H2,1H3
InChIKeyKOJULINYPAVFRW-UHFFFAOYSA-N
MW278.44 g/mol
LogP0.80
Rot. Bonds7

About 1-(cyclopropylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide

1-(cyclopropylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide (PubChem CID 106089017) has the molecular formula C11H22N2O2S2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(cyclopropylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide
PubChem CID106089017
Molecular FormulaC11H22N2O2S2
Molecular Weight278.44 g/mol
Exact Mass278.11
IUPAC Name1-(cyclopropylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)NCC1CCSC1
InChIInChI=1S/C11H22N2O2S2/c1-9(6-12-11-2-3-11)17(14,15)13-7-10-4-5-16-8-10/h9-13H,2-8H2,1H3
InChIKeyKOJULINYPAVFRW-UHFFFAOYSA-N
XLogP0.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide
CID 106089112
1-(cyclopropylamino)-N-(3-methylbutyl)propane-2-sulfonamide
CID 106059038
N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide
CID 106058802
1-(cyclopropylamino)-N-(1-cyclopropylpropan-2-yl)propane-2-sulfonamide
CID 106065688
3-(propan-2-ylamino)-N-(thiolan-3-ylmethyl)propane-1-sulfonamide
CID 107297045
1-(cyclopropylamino)-N-(pyridin-4-ylmethyl)propane-2-sulfonamide
CID 114138780
2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)piperidine-1-sulfonamide
CID 106088999
4-(thiolan-3-ylmethylamino)cyclohexan-1-ol
CID 107131200
1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide
CID 106093649
1-(cyclopropylamino)-N-(5-methoxypentyl)propane-2-sulfonamide
CID 106092684
1-(cyclopropylamino)-N-[2-[cyclopropyl(ethyl)amino]ethyl]propane-2-sulfonamide
CID 106094033
1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide
CID 106052302

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide?
The IUPAC name of 1-(cyclopropylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide (CID 106089017) is 1-(cyclopropylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(cyclopropylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide?
The canonical SMILES for 1-(cyclopropylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide is CC(CNC1CC1)S(=O)(=O)NCC1CCSC1.
What is the InChIKey of 1-(cyclopropylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide?
The InChIKey is KOJULINYPAVFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S2/c1-9(6-12-11-2-3-11)17(14,15)13-7-10-4-5-16-8-10/h9-13H,2-8H2,1H3.
What are the key properties of 1-(cyclopropylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide?
1-(cyclopropylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide has a molecular weight of 278.44 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 1-(cyclopropylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide is sourced from PubChem (CID 106089017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).