N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide

C12H20N2O3S2 — CID 106093112

IUPACN-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NC2CCC(OC)C2)c1
InChIInChI=1S/C12H20N2O3S2/c1-13-7-9-5-12(18-8-9)19(15,16)14-10-3-4-11(6-10)17-2/h5,8,10-11,13-14H,3-4,6-7H2,1-2H3
InChIKeyVSZMIXJDELXHLM-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.31
Rot. Bonds6

About N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide

N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106093112) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106093112
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC NameN-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NC2CCC(OC)C2)c1
InChIInChI=1S/C12H20N2O3S2/c1-13-7-9-5-12(18-8-9)19(15,16)14-10-3-4-11(6-10)17-2/h5,8,10-11,13-14H,3-4,6-7H2,1-2H3
InChIKeyVSZMIXJDELXHLM-UHFFFAOYSA-N
XLogP1.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(3-methoxycyclopentyl)thiophene-2-sulfonamide
CID 114117893
4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106090814
4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081596
4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 114140871
N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106065974
4-(methylaminomethyl)-N-(1-propylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106001510
N-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106093079
4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091472
4-(hydroxymethyl)-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551656
4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 106063055
1-[5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-N-methylmethanamine
CID 103541564
N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106065876

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide (CID 106093112) is N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)NC2CCC(OC)C2)c1.
What is the InChIKey of N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is VSZMIXJDELXHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-13-7-9-5-12(18-8-9)19(15,16)14-10-3-4-11(6-10)17-2/h5,8,10-11,13-14H,3-4,6-7H2,1-2H3.
What are the key properties of N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106093112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).