4-(cyclopropylamino)-N-(thiolan-2-ylmethyl)butane-1-sulfonamide

C12H24N2O2S2 — CID 106071753

IUPAC4-(cyclopropylamino)-N-(thiolan-2-ylmethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCNC1CC1)NCC1CCCS1
InChIInChI=1S/C12H24N2O2S2/c15-18(16,14-10-12-4-3-8-17-12)9-2-1-7-13-11-5-6-11/h11-14H,1-10H2
InChIKeyCKKFURHKIBRFLB-UHFFFAOYSA-N
MW292.47 g/mol
LogP1.33
Rot. Bonds9

About 4-(cyclopropylamino)-N-(thiolan-2-ylmethyl)butane-1-sulfonamide

4-(cyclopropylamino)-N-(thiolan-2-ylmethyl)butane-1-sulfonamide (PubChem CID 106071753) has the molecular formula C12H24N2O2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(thiolan-2-ylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(thiolan-2-ylmethyl)butane-1-sulfonamide
PubChem CID106071753
Molecular FormulaC12H24N2O2S2
Molecular Weight292.47 g/mol
Exact Mass292.13
IUPAC Name4-(cyclopropylamino)-N-(thiolan-2-ylmethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCNC1CC1)NCC1CCCS1
InChIInChI=1S/C12H24N2O2S2/c15-18(16,14-10-12-4-3-8-17-12)9-2-1-7-13-11-5-6-11/h11-14H,1-10H2
InChIKeyCKKFURHKIBRFLB-UHFFFAOYSA-N
XLogP1.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 51.33
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

3-chloro-N-(thiolan-2-ylmethyl)propane-1-sulfonamide
CID 80586248
1-chloro-N-(thiolan-2-ylmethyl)methanesulfonamide
CID 80586209
4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide
CID 115522833
4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide
CID 106073825
4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide
CID 114142377
4-(cyclopropylamino)-N-(1,4-dioxan-2-ylmethyl)butane-1-sulfonamide
CID 106016751
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
CID 106054130
4-[(cyclopropylamino)methyl]-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide
CID 106071701
4-(cyclopropylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butane-1-sulfonamide
CID 106018008
4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide
CID 106055704
4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 106092425
4-(cyclopropylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]butane-1-sulfonamide
CID 106095136

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-(thiolan-2-ylmethyl)butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-(thiolan-2-ylmethyl)butane-1-sulfonamide (CID 106071753) is 4-(cyclopropylamino)-N-(thiolan-2-ylmethyl)butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(thiolan-2-ylmethyl)butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(thiolan-2-ylmethyl)butane-1-sulfonamide is O=S(=O)(CCCCNC1CC1)NCC1CCCS1.
What is the InChIKey of 4-(cyclopropylamino)-N-(thiolan-2-ylmethyl)butane-1-sulfonamide?
The InChIKey is CKKFURHKIBRFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S2/c15-18(16,14-10-12-4-3-8-17-12)9-2-1-7-13-11-5-6-11/h11-14H,1-10H2.
What are the key properties of 4-(cyclopropylamino)-N-(thiolan-2-ylmethyl)butane-1-sulfonamide?
4-(cyclopropylamino)-N-(thiolan-2-ylmethyl)butane-1-sulfonamide has a molecular weight of 292.47 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(thiolan-2-ylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 106071753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).