(2S)-2-amino-N-[(3S)-3-(2-cyanothiophen-3-yl)pyrrolidin-3-yl]propanamide

C12H16N4OS — CID 67060613

IUPAC(2S)-2-amino-N-[(3S)-3-(2-cyanothiophen-3-yl)pyrrolidin-3-yl]propanamide
SMILESC[C@H](N)C(=O)N[C@]1(c2ccsc2C#N)CCNC1
InChIInChI=1S/C12H16N4OS/c1-8(14)11(17)16-12(3-4-15-7-12)9-2-5-18-10(9)6-13/h2,5,8,15H,3-4,7,14H2,1H3,(H,16,17)/t8-,12+/m0/s1
InChIKeyKOHJNYSJMVXHNW-QPUJVOFHSA-N
MW264.35 g/mol
LogP0.27
Rot. Bonds3

About (2S)-2-amino-N-[(3S)-3-(2-cyanothiophen-3-yl)pyrrolidin-3-yl]propanamide

(2S)-2-amino-N-[(3S)-3-(2-cyanothiophen-3-yl)pyrrolidin-3-yl]propanamide (PubChem CID 67060613) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3S)-3-(2-cyanothiophen-3-yl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3S)-3-(2-cyanothiophen-3-yl)pyrrolidin-3-yl]propanamide
PubChem CID67060613
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name(2S)-2-amino-N-[(3S)-3-(2-cyanothiophen-3-yl)pyrrolidin-3-yl]propanamide
SMILESC[C@H](N)C(=O)N[C@]1(c2ccsc2C#N)CCNC1
InChIInChI=1S/C12H16N4OS/c1-8(14)11(17)16-12(3-4-15-7-12)9-2-5-18-10(9)6-13/h2,5,8,15H,3-4,7,14H2,1H3,(H,16,17)/t8-,12+/m0/s1
InChIKeyKOHJNYSJMVXHNW-QPUJVOFHSA-N
XLogP0.27
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3S)-3-(2-cyanothiophen-3-yl)pyrrolidin-3-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(3S)-3-(2-cyanothiophen-3-yl)pyrrolidin-3-yl]propanamide (CID 67060613) is (2S)-2-amino-N-[(3S)-3-(2-cyanothiophen-3-yl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3S)-3-(2-cyanothiophen-3-yl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(3S)-3-(2-cyanothiophen-3-yl)pyrrolidin-3-yl]propanamide is C[C@H](N)C(=O)N[C@]1(c2ccsc2C#N)CCNC1.
What is the InChIKey of (2S)-2-amino-N-[(3S)-3-(2-cyanothiophen-3-yl)pyrrolidin-3-yl]propanamide?
The InChIKey is KOHJNYSJMVXHNW-QPUJVOFHSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8(14)11(17)16-12(3-4-15-7-12)9-2-5-18-10(9)6-13/h2,5,8,15H,3-4,7,14H2,1H3,(H,16,17)/t8-,12+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3S)-3-(2-cyanothiophen-3-yl)pyrrolidin-3-yl]propanamide?
(2S)-2-amino-N-[(3S)-3-(2-cyanothiophen-3-yl)pyrrolidin-3-yl]propanamide has a molecular weight of 264.35 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3S)-3-(2-cyanothiophen-3-yl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 67060613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).