[3-[(S)-amino(cyclopropyl)methyl]thiophen-2-yl]methanol

C9H13NOS — CID 55292192

IUPAC[3-[(S)-amino(cyclopropyl)methyl]thiophen-2-yl]methanol
SMILESN[C@H](c1ccsc1CO)C1CC1
InChIInChI=1S/C9H13NOS/c10-9(6-1-2-6)7-3-4-12-8(7)5-11/h3-4,6,9,11H,1-2,5,10H2/t9-/m0/s1
InChIKeyJZRCMGSYFPIKNB-VIFPVBQESA-N
MW183.28 g/mol
LogP1.65
Rot. Bonds3

About [3-[(S)-amino(cyclopropyl)methyl]thiophen-2-yl]methanol

[3-[(S)-amino(cyclopropyl)methyl]thiophen-2-yl]methanol (PubChem CID 55292192) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is [3-[(S)-amino(cyclopropyl)methyl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-[(S)-amino(cyclopropyl)methyl]thiophen-2-yl]methanol
PubChem CID55292192
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name[3-[(S)-amino(cyclopropyl)methyl]thiophen-2-yl]methanol
SMILESN[C@H](c1ccsc1CO)C1CC1
InChIInChI=1S/C9H13NOS/c10-9(6-1-2-6)7-3-4-12-8(7)5-11/h3-4,6,9,11H,1-2,5,10H2/t9-/m0/s1
InChIKeyJZRCMGSYFPIKNB-VIFPVBQESA-N
XLogP1.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine
CID 102832815
[3-(1-aminobutyl)thiophen-2-yl]methanol
CID 55272774
[3-(1-amino-2-methoxyethyl)thiophen-2-yl]methanol
CID 55270764
(3S)-3-amino-3-[2-(hydroxymethyl)thiophen-3-yl]propanenitrile
CID 55292478
4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol
CID 116941904
[3-[(R)-amino(cyclopropyl)methyl]-4-methylphenyl]methanol
CID 130665283
[4-[(R)-amino(cyclopropyl)methyl]phenyl]methanol
CID 130727327
cyclopropyl(thiophen-2-yl)methanamine
CID 5015827
2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride
CID 171200964
4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol
CID 131064756
(2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 102832882
2-[amino(cyclopropyl)methyl]-3-(hydroxymethyl)phenol
CID 130042224

Frequently Asked Questions

What is the IUPAC name of [3-[(S)-amino(cyclopropyl)methyl]thiophen-2-yl]methanol?
The IUPAC name of [3-[(S)-amino(cyclopropyl)methyl]thiophen-2-yl]methanol (CID 55292192) is [3-[(S)-amino(cyclopropyl)methyl]thiophen-2-yl]methanol.
What is the SMILES notation for [3-[(S)-amino(cyclopropyl)methyl]thiophen-2-yl]methanol?
The canonical SMILES for [3-[(S)-amino(cyclopropyl)methyl]thiophen-2-yl]methanol is N[C@H](c1ccsc1CO)C1CC1.
What is the InChIKey of [3-[(S)-amino(cyclopropyl)methyl]thiophen-2-yl]methanol?
The InChIKey is JZRCMGSYFPIKNB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13NOS/c10-9(6-1-2-6)7-3-4-12-8(7)5-11/h3-4,6,9,11H,1-2,5,10H2/t9-/m0/s1.
What are the key properties of [3-[(S)-amino(cyclopropyl)methyl]thiophen-2-yl]methanol?
[3-[(S)-amino(cyclopropyl)methyl]thiophen-2-yl]methanol has a molecular weight of 183.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(S)-amino(cyclopropyl)methyl]thiophen-2-yl]methanol is sourced from PubChem (CID 55292192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).