N-(2-methyloxan-4-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

C14H24N2O3S2 — CID 106093881

IUPACN-(2-methyloxan-4-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCC(C)NCc1cc(S(=O)(=O)NC2CCOC(C)C2)cs1
InChIInChI=1S/C14H24N2O3S2/c1-10(2)15-8-13-7-14(9-20-13)21(17,18)16-12-4-5-19-11(3)6-12/h7,9-12,15-16H,4-6,8H2,1-3H3
InChIKeySLCFKLKZWQMVFQ-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.09
Rot. Bonds6

About N-(2-methyloxan-4-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

N-(2-methyloxan-4-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (PubChem CID 106093881) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-(2-methyloxan-4-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methyloxan-4-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
PubChem CID106093881
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC NameN-(2-methyloxan-4-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCC(C)NCc1cc(S(=O)(=O)NC2CCOC(C)C2)cs1
InChIInChI=1S/C14H24N2O3S2/c1-10(2)15-8-13-7-14(9-20-13)21(17,18)16-12-4-5-19-11(3)6-12/h7,9-12,15-16H,4-6,8H2,1-3H3
InChIKeySLCFKLKZWQMVFQ-UHFFFAOYSA-N
XLogP2.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106076143
5-[(propan-2-ylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084327
N-(cyclobutylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106024368
N-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106067360
3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093864
5-(hydroxymethyl)-N-(3-methylcyclopentyl)thiophene-3-sulfonamide
CID 114551653
N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106028371
N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106079565
N-(2-methylsulfanylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 114141304
N-[2-(dimethylamino)propyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106017154
5-[(cyclopropylamino)methyl]-N-(2-methylcyclopentyl)thiophene-3-sulfonamide
CID 106064269
4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide
CID 106093906

Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxan-4-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The IUPAC name of N-(2-methyloxan-4-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (CID 106093881) is N-(2-methyloxan-4-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(2-methyloxan-4-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-(2-methyloxan-4-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is CC(C)NCc1cc(S(=O)(=O)NC2CCOC(C)C2)cs1.
What is the InChIKey of N-(2-methyloxan-4-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The InChIKey is SLCFKLKZWQMVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-10(2)15-8-13-7-14(9-20-13)21(17,18)16-12-4-5-19-11(3)6-12/h7,9-12,15-16H,4-6,8H2,1-3H3.
What are the key properties of N-(2-methyloxan-4-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
N-(2-methyloxan-4-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxan-4-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106093881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).