4-hydroxy-N-[(1-methylsulfanylcyclopropyl)methyl]butane-1-sulfonamide

C9H19NO3S2 — CID 106002291

IUPAC4-hydroxy-N-[(1-methylsulfanylcyclopropyl)methyl]butane-1-sulfonamide
SMILESCSC1(CNS(=O)(=O)CCCCO)CC1
InChIInChI=1S/C9H19NO3S2/c1-14-9(4-5-9)8-10-15(12,13)7-3-2-6-11/h10-11H,2-8H2,1H3
InChIKeyIPNHXXBPDLCUKV-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.57
Rot. Bonds8

About 4-hydroxy-N-[(1-methylsulfanylcyclopropyl)methyl]butane-1-sulfonamide

4-hydroxy-N-[(1-methylsulfanylcyclopropyl)methyl]butane-1-sulfonamide (PubChem CID 106002291) has the molecular formula C9H19NO3S2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-hydroxy-N-[(1-methylsulfanylcyclopropyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-[(1-methylsulfanylcyclopropyl)methyl]butane-1-sulfonamide
PubChem CID106002291
Molecular FormulaC9H19NO3S2
Molecular Weight253.39 g/mol
Exact Mass253.08
IUPAC Name4-hydroxy-N-[(1-methylsulfanylcyclopropyl)methyl]butane-1-sulfonamide
SMILESCSC1(CNS(=O)(=O)CCCCO)CC1
InChIInChI=1S/C9H19NO3S2/c1-14-9(4-5-9)8-10-15(12,13)7-3-2-6-11/h10-11H,2-8H2,1H3
InChIKeyIPNHXXBPDLCUKV-UHFFFAOYSA-N
XLogP0.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.57
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-hydroxy-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 106001860
methyl 4-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]butanoate
CID 107271038
4-amino-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 114142631
N-[(1-methylsulfanylcyclopentyl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090506
N-[(1-methylsulfanylcyclobutyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106090686
N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 107270941
3-(ethylamino)-N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 114142573
N-[(1-methylsulfanylcyclohexyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106092414
4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 106092425
3-(cyclopropylamino)-N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 106090688
3-[(1-methylsulfanylcyclohexyl)methylsulfamoyl]propanoic acid
CID 114115836
2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide
CID 106090508

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1-methylsulfanylcyclopropyl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-hydroxy-N-[(1-methylsulfanylcyclopropyl)methyl]butane-1-sulfonamide (CID 106002291) is 4-hydroxy-N-[(1-methylsulfanylcyclopropyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-hydroxy-N-[(1-methylsulfanylcyclopropyl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-hydroxy-N-[(1-methylsulfanylcyclopropyl)methyl]butane-1-sulfonamide is CSC1(CNS(=O)(=O)CCCCO)CC1.
What is the InChIKey of 4-hydroxy-N-[(1-methylsulfanylcyclopropyl)methyl]butane-1-sulfonamide?
The InChIKey is IPNHXXBPDLCUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S2/c1-14-9(4-5-9)8-10-15(12,13)7-3-2-6-11/h10-11H,2-8H2,1H3.
What are the key properties of 4-hydroxy-N-[(1-methylsulfanylcyclopropyl)methyl]butane-1-sulfonamide?
4-hydroxy-N-[(1-methylsulfanylcyclopropyl)methyl]butane-1-sulfonamide has a molecular weight of 253.39 g/mol, XLogP of 0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(1-methylsulfanylcyclopropyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 106002291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).