N-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine

C14H25N3O2S2 — CID 103413649

IUPACN-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(S(=O)(=O)c2cnc(C)s2)C1
InChIInChI=1S/C14H25N3O2S2/c1-4-7-15-11(2)13-6-5-8-17(10-13)21(18,19)14-9-16-12(3)20-14/h9,11,13,15H,4-8,10H2,1-3H3
InChIKeyAKJAMBZCLZHYOL-UHFFFAOYSA-N
MW331.51 g/mol
LogP2.24
Rot. Bonds6

About N-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine

N-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine (PubChem CID 103413649) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is N-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine
PubChem CID103413649
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC NameN-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(S(=O)(=O)c2cnc(C)s2)C1
InChIInChI=1S/C14H25N3O2S2/c1-4-7-15-11(2)13-6-5-8-17(10-13)21(18,19)14-9-16-12(3)20-14/h9,11,13,15H,4-8,10H2,1-3H3
InChIKeyAKJAMBZCLZHYOL-UHFFFAOYSA-N
XLogP2.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole
CID 146666615
3-(Methylsulfonylmethyl)piperidine;1,3-thiazole
CID 68516941
5-[2,4-Dimethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-yl]sulfonyl-1,3-thiazole
CID 69573627
5-(2,6-Dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 91804318
1-butylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 170623111
2-Chloro-5-(3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 43427515
2-chloro-N-(4-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 43455756
2-Chloro-5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 43455764
2-chloro-N-(2-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 43455804
2-Chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 43455811
2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-sulfonamide
CID 43455876
2-chloro-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 43455969

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine (CID 103413649) is N-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine is CCCNC(C)C1CCCN(S(=O)(=O)c2cnc(C)s2)C1.
What is the InChIKey of N-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine?
The InChIKey is AKJAMBZCLZHYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-4-7-15-11(2)13-6-5-8-17(10-13)21(18,19)14-9-16-12(3)20-14/h9,11,13,15H,4-8,10H2,1-3H3.
What are the key properties of N-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine?
N-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine has a molecular weight of 331.51 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103413649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).