5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile

C9H10N2S — CID 130877567

IUPAC5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc([C@H](N)C2CC2)s1
InChIInChI=1S/C9H10N2S/c10-5-7-3-4-8(12-7)9(11)6-1-2-6/h3-4,6,9H,1-2,11H2/t9-/m1/s1
InChIKeyBCRUOEKAZGSXLH-SECBINFHSA-N
MW178.26 g/mol
LogP2.03
Rot. Bonds2

About 5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile

5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile (PubChem CID 130877567) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile
PubChem CID130877567
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc([C@H](N)C2CC2)s1
InChIInChI=1S/C9H10N2S/c10-5-7-3-4-8(12-7)9(11)6-1-2-6/h3-4,6,9H,1-2,11H2/t9-/m1/s1
InChIKeyBCRUOEKAZGSXLH-SECBINFHSA-N
XLogP2.03
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-propan-2-ylthiophene-2-carbonitrile
CID 59218723
5-[1-(2-cyclopropylpropylamino)ethyl]thiophene-2-carbonitrile
CID 115903591
5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile
CID 130852480
5-[(S)-amino(cyclopropyl)methyl]thiophene-2-sulfonamide
CID 131173158
(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine
CID 130673381
(3R)-3-amino-3-(5-cyanothiophen-2-yl)propanoic acid
CID 130675880
(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine;hydrochloride
CID 171236387
[5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 43154410
(S)-(5-bromothiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171222527
(R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
CID 171200582
4-[amino(cyclopropyl)methyl]benzonitrile
CID 55282712
cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methanamine
CID 107589478

Frequently Asked Questions

What is the IUPAC name of 5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile (CID 130877567) is 5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile is N#Cc1ccc([C@H](N)C2CC2)s1.
What is the InChIKey of 5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile?
The InChIKey is BCRUOEKAZGSXLH-SECBINFHSA-N. The full InChI is InChI=1S/C9H10N2S/c10-5-7-3-4-8(12-7)9(11)6-1-2-6/h3-4,6,9H,1-2,11H2/t9-/m1/s1.
What are the key properties of 5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile?
5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile has a molecular weight of 178.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 130877567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).