2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide

C14H24N2O3S2 — CID 106093333

IUPAC2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2cc(CNC(C)C)oc2C)CC1
InChIInChI=1S/C14H24N2O3S2/c1-10(2)15-8-12-7-13(11(3)19-12)21(17,18)16-9-14(20-4)5-6-14/h7,10,15-16H,5-6,8-9H2,1-4H3
InChIKeyAGQPAJWQLOTBSV-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.26
Rot. Bonds8

About 2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide

2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide (PubChem CID 106093333) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
PubChem CID106093333
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2cc(CNC(C)C)oc2C)CC1
InChIInChI=1S/C14H24N2O3S2/c1-10(2)15-8-12-7-13(11(3)19-12)21(17,18)16-9-14(20-4)5-6-14/h7,10,15-16H,5-6,8-9H2,1-4H3
InChIKeyAGQPAJWQLOTBSV-UHFFFAOYSA-N
XLogP2.26
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylbutyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 103465979
2-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106030088
N-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106091261
N-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106069381
2-methyl-N-(2-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106079485
5-(aminomethyl)-2-bromo-N-[(1-methylsulfanylcyclopentyl)methyl]furan-3-sulfonamide
CID 106090522
2-bromo-N-(2-methylsulfanylethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106063842
N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106080730
2-methyl-5-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]furan-3-sulfonamide
CID 106073692
2-hydroxy-4-methyl-5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]benzoic acid
CID 107266448
5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106000848
2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106027265

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The IUPAC name of 2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide (CID 106093333) is 2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The canonical SMILES for 2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide is CSC1(CNS(=O)(=O)c2cc(CNC(C)C)oc2C)CC1.
What is the InChIKey of 2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The InChIKey is AGQPAJWQLOTBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-10(2)15-8-12-7-13(11(3)19-12)21(17,18)16-9-14(20-4)5-6-14/h7,10,15-16H,5-6,8-9H2,1-4H3.
What are the key properties of 2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide is sourced from PubChem (CID 106093333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).