(1S)-1-[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine

C14H23N3S — CID 107455795

IUPAC(1S)-1-[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(N2CCSC(C)(C)CC2)cn1
InChIInChI=1S/C14H23N3S/c1-11(15)13-5-4-12(10-16-13)17-7-6-14(2,3)18-9-8-17/h4-5,10-11H,6-9,15H2,1-3H3/t11-/m0/s1
InChIKeyGJWKTGMPUNSGBO-NSHDSACASA-N
MW265.43 g/mol
LogP2.82
Rot. Bonds2

About (1S)-1-[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine

(1S)-1-[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine (PubChem CID 107455795) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is (1S)-1-[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine
PubChem CID107455795
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name(1S)-1-[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(N2CCSC(C)(C)CC2)cn1
InChIInChI=1S/C14H23N3S/c1-11(15)13-5-4-12(10-16-13)17-7-6-14(2,3)18-9-8-17/h4-5,10-11H,6-9,15H2,1-3H3/t11-/m0/s1
InChIKeyGJWKTGMPUNSGBO-NSHDSACASA-N
XLogP2.82
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(1S)-1-[5-(1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine
CID 83122995
(1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine
CID 83123042
(1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83127547
(1R)-1-[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]ethanamine
CID 83122006
1-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 103496947
1-[6-(1-aminoethyl)-3-pyridinyl]piperidin-4-ol
CID 83122211
1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 83122375
(1R)-1-[5-[4-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]ethanamine
CID 83122532
(1S)-1-[5-(2,2-dimethylpyrrolidin-1-yl)-2-pyridinyl]ethanamine
CID 83127057
1-[5-(1,1-dioxo-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine
CID 114083488
[4-(7,7-dimethyl-1,4-thiazepan-4-yl)phenyl]methanamine
CID 107453189
1-[4-(7,7-dimethyl-1,4-thiazepan-4-yl)phenyl]-N-methylethanamine
CID 107455784

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine (CID 107455795) is (1S)-1-[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine is C[C@H](N)c1ccc(N2CCSC(C)(C)CC2)cn1.
What is the InChIKey of (1S)-1-[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine?
The InChIKey is GJWKTGMPUNSGBO-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3S/c1-11(15)13-5-4-12(10-16-13)17-7-6-14(2,3)18-9-8-17/h4-5,10-11H,6-9,15H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine?
(1S)-1-[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine has a molecular weight of 265.43 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 107455795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).