5-(4-tert-butylpiperidin-1-yl)sulfonyl-3-chloropyridin-2-amine

C14H22ClN3O2S — CID 64601666

IUPAC5-(4-tert-butylpiperidin-1-yl)sulfonyl-3-chloropyridin-2-amine
SMILESCC(C)(C)C1CCN(S(=O)(=O)c2cnc(N)c(Cl)c2)CC1
InChIInChI=1S/C14H22ClN3O2S/c1-14(2,3)10-4-6-18(7-5-10)21(19,20)11-8-12(15)13(16)17-9-11/h8-10H,4-7H2,1-3H3,(H2,16,17)
InChIKeyUEPUHGRDDGBCRL-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.76
Rot. Bonds2

About 5-(4-tert-butylpiperidin-1-yl)sulfonyl-3-chloropyridin-2-amine

5-(4-tert-butylpiperidin-1-yl)sulfonyl-3-chloropyridin-2-amine (PubChem CID 64601666) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 5-(4-tert-butylpiperidin-1-yl)sulfonyl-3-chloropyridin-2-amine.

Molecular Properties

Compound Name5-(4-tert-butylpiperidin-1-yl)sulfonyl-3-chloropyridin-2-amine
PubChem CID64601666
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name5-(4-tert-butylpiperidin-1-yl)sulfonyl-3-chloropyridin-2-amine
SMILESCC(C)(C)C1CCN(S(=O)(=O)c2cnc(N)c(Cl)c2)CC1
InChIInChI=1S/C14H22ClN3O2S/c1-14(2,3)10-4-6-18(7-5-10)21(19,20)11-8-12(15)13(16)17-9-11/h8-10H,4-7H2,1-3H3,(H2,16,17)
InChIKeyUEPUHGRDDGBCRL-UHFFFAOYSA-N
XLogP2.76
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-tert-butylpiperidin-1-yl)sulfonyl-2-chloropyrimidine
CID 62090054
3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 79180594
3-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538339
3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64601329
3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 64600354
3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyridin-2-amine
CID 64600145
3-methyl-5-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 82487990
2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol
CID 64606200
3-chloro-5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridin-2-amine
CID 64602066
6-amino-5-chloro-N-cyclopropylpyridine-3-sulfonamide
CID 64607555
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 64606820
2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 64608977

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylpiperidin-1-yl)sulfonyl-3-chloropyridin-2-amine?
The IUPAC name of 5-(4-tert-butylpiperidin-1-yl)sulfonyl-3-chloropyridin-2-amine (CID 64601666) is 5-(4-tert-butylpiperidin-1-yl)sulfonyl-3-chloropyridin-2-amine.
What is the SMILES notation for 5-(4-tert-butylpiperidin-1-yl)sulfonyl-3-chloropyridin-2-amine?
The canonical SMILES for 5-(4-tert-butylpiperidin-1-yl)sulfonyl-3-chloropyridin-2-amine is CC(C)(C)C1CCN(S(=O)(=O)c2cnc(N)c(Cl)c2)CC1.
What is the InChIKey of 5-(4-tert-butylpiperidin-1-yl)sulfonyl-3-chloropyridin-2-amine?
The InChIKey is UEPUHGRDDGBCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-14(2,3)10-4-6-18(7-5-10)21(19,20)11-8-12(15)13(16)17-9-11/h8-10H,4-7H2,1-3H3,(H2,16,17).
What are the key properties of 5-(4-tert-butylpiperidin-1-yl)sulfonyl-3-chloropyridin-2-amine?
5-(4-tert-butylpiperidin-1-yl)sulfonyl-3-chloropyridin-2-amine has a molecular weight of 331.87 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylpiperidin-1-yl)sulfonyl-3-chloropyridin-2-amine is sourced from PubChem (CID 64601666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).