N-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine

C12H19N3O2S2 — CID 62152799

IUPACN-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine
SMILESCCNc1cc(S(=O)(=O)N2CCCSCC2)ccn1
InChIInChI=1S/C12H19N3O2S2/c1-2-13-12-10-11(4-5-14-12)19(16,17)15-6-3-8-18-9-7-15/h4-5,10H,2-3,6-9H2,1H3,(H,13,14)
InChIKeyNTHJGUQYLRESAB-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.64
Rot. Bonds4

About N-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine

N-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine (PubChem CID 62152799) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine
PubChem CID62152799
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC NameN-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine
SMILESCCNc1cc(S(=O)(=O)N2CCCSCC2)ccn1
InChIInChI=1S/C12H19N3O2S2/c1-2-13-12-10-11(4-5-14-12)19(16,17)15-6-3-8-18-9-7-15/h4-5,10H,2-3,6-9H2,1H3,(H,13,14)
InChIKeyNTHJGUQYLRESAB-UHFFFAOYSA-N
XLogP1.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine
CID 55043507
4-(4-cyclopropylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 62152286
4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 113228640
1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 62942337
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine
CID 79933811
4-thiomorpholin-4-ylsulfonylpyridin-2-amine
CID 62145270
N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538318
3-[(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propanoic acid
CID 122048163
[2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone
CID 55042424
[1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol
CID 62164530
2-[1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]piperidin-2-yl]ethanol
CID 62144222
1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol
CID 62153093

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine?
The IUPAC name of N-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine (CID 62152799) is N-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine is CCNc1cc(S(=O)(=O)N2CCCSCC2)ccn1.
What is the InChIKey of N-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine?
The InChIKey is NTHJGUQYLRESAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-2-13-12-10-11(4-5-14-12)19(16,17)15-6-3-8-18-9-7-15/h4-5,10H,2-3,6-9H2,1H3,(H,13,14).
What are the key properties of N-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine?
N-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine has a molecular weight of 301.44 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine is sourced from PubChem (CID 62152799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).