(S)-cyclobutyl(thiophen-3-yl)methanamine

C9H13NS — CID 96933189

IUPAC(S)-cyclobutyl(thiophen-3-yl)methanamine
SMILESN[C@H](c1ccsc1)C1CCC1
InChIInChI=1S/C9H13NS/c10-9(7-2-1-3-7)8-4-5-11-6-8/h4-7,9H,1-3,10H2/t9-/m0/s1
InChIKeyAGXWOMFBZJHDBF-VIFPVBQESA-N
MW167.28 g/mol
LogP2.55
Rot. Bonds2

About (S)-cyclobutyl(thiophen-3-yl)methanamine

(S)-cyclobutyl(thiophen-3-yl)methanamine (PubChem CID 96933189) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (S)-cyclobutyl(thiophen-3-yl)methanamine.

Molecular Properties

Compound Name(S)-cyclobutyl(thiophen-3-yl)methanamine
PubChem CID96933189
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(S)-cyclobutyl(thiophen-3-yl)methanamine
SMILESN[C@H](c1ccsc1)C1CCC1
InChIInChI=1S/C9H13NS/c10-9(7-2-1-3-7)8-4-5-11-6-8/h4-7,9H,1-3,10H2/t9-/m0/s1
InChIKeyAGXWOMFBZJHDBF-VIFPVBQESA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylcyclopentyl)-thiophen-3-ylmethanamine
CID 107189168
(3-ethylcyclopentyl)-thiophen-3-ylmethanamine
CID 65410617
4-[(S)-amino(cyclobutyl)methyl]phenol
CID 130741168
4-[(R)-amino(cyclobutyl)methyl]phenol
CID 130780811
2-cyclopropyl-1-thiophen-3-ylethanamine
CID 55293747
oxan-3-yl(thiophen-3-yl)methanol
CID 65099967
(5-methyloxolan-3-yl)-thiophen-3-ylmethanamine
CID 104988595
1,4-dithian-2-yl(thiophen-3-yl)methanamine
CID 79970704
(1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine
CID 69494477
cyclobutyl-(1-methylpyrrol-3-yl)methanamine
CID 82280294
(3-cyclobutylphenyl)-thiophen-3-ylmethanamine
CID 114602570
3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
CID 171218060

Frequently Asked Questions

What is the IUPAC name of (S)-cyclobutyl(thiophen-3-yl)methanamine?
The IUPAC name of (S)-cyclobutyl(thiophen-3-yl)methanamine (CID 96933189) is (S)-cyclobutyl(thiophen-3-yl)methanamine.
What is the SMILES notation for (S)-cyclobutyl(thiophen-3-yl)methanamine?
The canonical SMILES for (S)-cyclobutyl(thiophen-3-yl)methanamine is N[C@H](c1ccsc1)C1CCC1.
What is the InChIKey of (S)-cyclobutyl(thiophen-3-yl)methanamine?
The InChIKey is AGXWOMFBZJHDBF-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13NS/c10-9(7-2-1-3-7)8-4-5-11-6-8/h4-7,9H,1-3,10H2/t9-/m0/s1.
What are the key properties of (S)-cyclobutyl(thiophen-3-yl)methanamine?
(S)-cyclobutyl(thiophen-3-yl)methanamine has a molecular weight of 167.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclobutyl(thiophen-3-yl)methanamine is sourced from PubChem (CID 96933189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).