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

C14H25N3O2S2 — CID 103416218

IUPAC2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]methyl]propan-1-amine
SMILESCc1ncc(S(=O)(=O)N2CCCCC2CNCC(C)C)s1
InChIInChI=1S/C14H25N3O2S2/c1-11(2)8-15-9-13-6-4-5-7-17(13)21(18,19)14-10-16-12(3)20-14/h10-11,13,15H,4-9H2,1-3H3
InChIKeyBATDUHNZIKWMIP-UHFFFAOYSA-N
MW331.51 g/mol
LogP2.24
Rot. Bonds6

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

2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]methyl]propan-1-amine (PubChem CID 103416218) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]methyl]propan-1-amine
PubChem CID103416218
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]methyl]propan-1-amine
SMILESCc1ncc(S(=O)(=O)N2CCCCC2CNCC(C)C)s1
InChIInChI=1S/C14H25N3O2S2/c1-11(2)8-15-9-13-6-4-5-7-17(13)21(18,19)14-10-16-12(3)20-14/h10-11,13,15H,4-9H2,1-3H3
InChIKeyBATDUHNZIKWMIP-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

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

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Related Compounds

2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120778825
2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide
CID 120778826
2-Amino-ethanesulfonic acid (1-isopropyl-piperidin-4-yl)-thiazol-2-ylmethyl-amide
CID 66625026
2-amino-N-[(1-propan-2-ylpiperidin-4-yl)-(1,3-thiazol-2-yl)methyl]ethanesulfonamide
CID 69106639
2-aminoethanesulfonic acid;1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 87696360
5-(2,6-Dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 91804318
2-Methyl-5-piperazin-1-ylsulfonyl-1,3-thiazole
CID 103951395
5-[(3-Ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-2-methyl-1,3-thiazole
CID 129269503
2-Methyl-5-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-1,3-thiazole
CID 129269723
2-Methyl-5-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-1,3-thiazole
CID 137444437
1-butylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 170623111
2-Chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 43455760

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]methyl]propan-1-amine (CID 103416218) is 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]methyl]propan-1-amine is Cc1ncc(S(=O)(=O)N2CCCCC2CNCC(C)C)s1.
What is the InChIKey of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]methyl]propan-1-amine?
The InChIKey is BATDUHNZIKWMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-11(2)8-15-9-13-6-4-5-7-17(13)21(18,19)14-10-16-12(3)20-14/h10-11,13,15H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]methyl]propan-1-amine?
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]methyl]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 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 103416218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).