[2-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol

C13H21N3O3S2 — CID 103348959

IUPAC[2-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol
SMILESNc1nsc(NCC2CCCC2CO)c1S(=O)(=O)C1CC1
InChIInChI=1S/C13H21N3O3S2/c14-12-11(21(18,19)10-4-5-10)13(20-16-12)15-6-8-2-1-3-9(8)7-17/h8-10,15,17H,1-7H2,(H2,14,16)
InChIKeyBAMZJPZBOAIEPP-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.48
Rot. Bonds6

About [2-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol

[2-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 103348959) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is [2-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol
PubChem CID103348959
Molecular FormulaC13H21N3O3S2
Molecular Weight331.46 g/mol
Exact Mass331.10
IUPAC Name[2-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol
SMILESNc1nsc(NCC2CCCC2CO)c1S(=O)(=O)C1CC1
InChIInChI=1S/C13H21N3O3S2/c14-12-11(21(18,19)10-4-5-10)13(20-16-12)15-6-8-2-1-3-9(8)7-17/h8-10,15,17H,1-7H2,(H2,14,16)
InChIKeyBAMZJPZBOAIEPP-UHFFFAOYSA-N
XLogP1.48
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 103378959
1-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclohexan-1-ol
CID 103348943
5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
CID 103349511
4-cyclopropylsulfonyl-5-N-(2-methyl-2-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine
CID 103349636
4-cyclopropylsulfonyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine
CID 103349793
4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 106412715
[2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 103359939
4-cyclopropylsulfonyl-5-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103349226
4-cyclopropylsulfonyl-5-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 106424884
5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382331
4-cyclopropylsulfonyl-5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103349132
4-cyclopropylsulfonyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine
CID 103348955

Frequently Asked Questions

What is the IUPAC name of [2-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol (CID 103348959) is [2-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol is Nc1nsc(NCC2CCCC2CO)c1S(=O)(=O)C1CC1.
What is the InChIKey of [2-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is BAMZJPZBOAIEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2/c14-12-11(21(18,19)10-4-5-10)13(20-16-12)15-6-8-2-1-3-9(8)7-17/h8-10,15,17H,1-7H2,(H2,14,16).
What are the key properties of [2-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol?
[2-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 331.46 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 103348959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).