3-[(S)-amino(thiophen-3-yl)methyl]pyridin-2-amine

C10H11N3S — CID 171211334

IUPAC3-[(S)-amino(thiophen-3-yl)methyl]pyridin-2-amine
SMILESNc1ncccc1[C@H](N)c1ccsc1
InChIInChI=1S/C10H11N3S/c11-9(7-3-5-14-6-7)8-2-1-4-13-10(8)12/h1-6,9H,11H2,(H2,12,13)/t9-/m1/s1
InChIKeyHTDGHDXUTCTPPI-SECBINFHSA-N
MW205.29 g/mol
LogP1.77
Rot. Bonds2

About 3-[(S)-amino(thiophen-3-yl)methyl]pyridin-2-amine

3-[(S)-amino(thiophen-3-yl)methyl]pyridin-2-amine (PubChem CID 171211334) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 3-[(S)-amino(thiophen-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(S)-amino(thiophen-3-yl)methyl]pyridin-2-amine
PubChem CID171211334
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name3-[(S)-amino(thiophen-3-yl)methyl]pyridin-2-amine
SMILESNc1ncccc1[C@H](N)c1ccsc1
InChIInChI=1S/C10H11N3S/c11-9(7-3-5-14-6-7)8-2-1-4-13-10(8)12/h1-6,9H,11H2,(H2,12,13)/t9-/m1/s1
InChIKeyHTDGHDXUTCTPPI-SECBINFHSA-N
XLogP1.77
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(S)-amino(thiophen-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-[(S)-amino(thiophen-3-yl)methyl]pyridin-2-amine (CID 171211334) is 3-[(S)-amino(thiophen-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(S)-amino(thiophen-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(S)-amino(thiophen-3-yl)methyl]pyridin-2-amine is Nc1ncccc1[C@H](N)c1ccsc1.
What is the InChIKey of 3-[(S)-amino(thiophen-3-yl)methyl]pyridin-2-amine?
The InChIKey is HTDGHDXUTCTPPI-SECBINFHSA-N. The full InChI is InChI=1S/C10H11N3S/c11-9(7-3-5-14-6-7)8-2-1-4-13-10(8)12/h1-6,9H,11H2,(H2,12,13)/t9-/m1/s1.
What are the key properties of 3-[(S)-amino(thiophen-3-yl)methyl]pyridin-2-amine?
3-[(S)-amino(thiophen-3-yl)methyl]pyridin-2-amine has a molecular weight of 205.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-amino(thiophen-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 171211334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).