2-[[(3S)-1-cyclohexylpiperidin-3-yl]amino]-1,3-thiazole-5-sulfonamide

C14H24N4O2S2 — CID 95247702

IUPAC2-[[(3S)-1-cyclohexylpiperidin-3-yl]amino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(N[C@H]2CCCN(C3CCCCC3)C2)s1
InChIInChI=1S/C14H24N4O2S2/c15-22(19,20)13-9-16-14(21-13)17-11-5-4-8-18(10-11)12-6-2-1-3-7-12/h9,11-12H,1-8,10H2,(H,16,17)(H2,15,19,20)/t11-/m0/s1
InChIKeyKGWOUVYVCQCVMN-NSHDSACASA-N
MW344.51 g/mol
LogP2.00
Rot. Bonds4

About 2-[[(3S)-1-cyclohexylpiperidin-3-yl]amino]-1,3-thiazole-5-sulfonamide

2-[[(3S)-1-cyclohexylpiperidin-3-yl]amino]-1,3-thiazole-5-sulfonamide (PubChem CID 95247702) has the molecular formula C14H24N4O2S2 and a molecular weight of 344.51 g/mol. Its IUPAC name is 2-[[(3S)-1-cyclohexylpiperidin-3-yl]amino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[[(3S)-1-cyclohexylpiperidin-3-yl]amino]-1,3-thiazole-5-sulfonamide
PubChem CID95247702
Molecular FormulaC14H24N4O2S2
Molecular Weight344.51 g/mol
Exact Mass344.13
IUPAC Name2-[[(3S)-1-cyclohexylpiperidin-3-yl]amino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(N[C@H]2CCCN(C3CCCCC3)C2)s1
InChIInChI=1S/C14H24N4O2S2/c15-22(19,20)13-9-16-14(21-13)17-11-5-4-8-18(10-11)12-6-2-1-3-7-12/h9,11-12H,1-8,10H2,(H,16,17)(H2,15,19,20)/t11-/m0/s1
InChIKeyKGWOUVYVCQCVMN-NSHDSACASA-N
XLogP2.00
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-cyclohexylpiperidin-3-yl]amino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[[(3S)-1-cyclohexylpiperidin-3-yl]amino]-1,3-thiazole-5-sulfonamide (CID 95247702) is 2-[[(3S)-1-cyclohexylpiperidin-3-yl]amino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[[(3S)-1-cyclohexylpiperidin-3-yl]amino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[[(3S)-1-cyclohexylpiperidin-3-yl]amino]-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(N[C@H]2CCCN(C3CCCCC3)C2)s1.
What is the InChIKey of 2-[[(3S)-1-cyclohexylpiperidin-3-yl]amino]-1,3-thiazole-5-sulfonamide?
The InChIKey is KGWOUVYVCQCVMN-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N4O2S2/c15-22(19,20)13-9-16-14(21-13)17-11-5-4-8-18(10-11)12-6-2-1-3-7-12/h9,11-12H,1-8,10H2,(H,16,17)(H2,15,19,20)/t11-/m0/s1.
What are the key properties of 2-[[(3S)-1-cyclohexylpiperidin-3-yl]amino]-1,3-thiazole-5-sulfonamide?
2-[[(3S)-1-cyclohexylpiperidin-3-yl]amino]-1,3-thiazole-5-sulfonamide has a molecular weight of 344.51 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-cyclohexylpiperidin-3-yl]amino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 95247702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).