4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine

C10H13BrN2S — CID 130692096

IUPAC4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine
SMILESBrc1ccnc(NCC2CCSC2)c1
InChIInChI=1S/C10H13BrN2S/c11-9-1-3-12-10(5-9)13-6-8-2-4-14-7-8/h1,3,5,8H,2,4,6-7H2,(H,12,13)
InChIKeyZXPBMDDYOQFEHQ-UHFFFAOYSA-N
MW273.20 g/mol
LogP3.01
Rot. Bonds3

About 4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine

4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine (PubChem CID 130692096) has the molecular formula C10H13BrN2S and a molecular weight of 273.20 g/mol. Its IUPAC name is 4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine
PubChem CID130692096
Molecular FormulaC10H13BrN2S
Molecular Weight273.20 g/mol
Exact Mass272.00
IUPAC Name4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine
SMILESBrc1ccnc(NCC2CCSC2)c1
InChIInChI=1S/C10H13BrN2S/c11-9-1-3-12-10(5-9)13-6-8-2-4-14-7-8/h1,3,5,8H,2,4,6-7H2,(H,12,13)
InChIKeyZXPBMDDYOQFEHQ-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine
CID 107294970
6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107297717
5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine
CID 107294937
4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine
CID 107294876
4-bromo-2-methyl-N-(thiolan-3-ylmethyl)aniline
CID 107131146
5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine
CID 130956227
5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine
CID 114011625
5-bromo-2-(thiolan-3-ylmethylamino)benzoic acid
CID 107298307
5-bromo-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136823717
methyl 4-(thiolan-3-ylmethylamino)pyridine-2-carboxylate
CID 107296619
2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine
CID 107294936
(1S)-1-(3-bromophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132275

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine (CID 130692096) is 4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine is Brc1ccnc(NCC2CCSC2)c1.
What is the InChIKey of 4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine?
The InChIKey is ZXPBMDDYOQFEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2S/c11-9-1-3-12-10(5-9)13-6-8-2-4-14-7-8/h1,3,5,8H,2,4,6-7H2,(H,12,13).
What are the key properties of 4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine?
4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine has a molecular weight of 273.20 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 130692096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).