N-[(3R,4S)-1-(cyclopropylmethyl)-4-phenylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide

C17H25N3O3S — CID 72842364

IUPACN-[(3R,4S)-1-(cyclopropylmethyl)-4-phenylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide
SMILESCS(=O)(=O)NCC(=O)N[C@H]1CN(CC2CC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H25N3O3S/c1-24(22,23)18-9-17(21)19-16-12-20(10-13-7-8-13)11-15(16)14-5-3-2-4-6-14/h2-6,13,15-16,18H,7-12H2,1H3,(H,19,21)/t15-,16+/m1/s1
InChIKeyQCTUVAWCWAKVJH-CVEARBPZSA-N
MW351.47 g/mol
LogP0.53
Rot. Bonds7

About N-[(3R,4S)-1-(cyclopropylmethyl)-4-phenylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide

N-[(3R,4S)-1-(cyclopropylmethyl)-4-phenylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide (PubChem CID 72842364) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[(3R,4S)-1-(cyclopropylmethyl)-4-phenylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(cyclopropylmethyl)-4-phenylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide
PubChem CID72842364
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-[(3R,4S)-1-(cyclopropylmethyl)-4-phenylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide
SMILESCS(=O)(=O)NCC(=O)N[C@H]1CN(CC2CC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H25N3O3S/c1-24(22,23)18-9-17(21)19-16-12-20(10-13-7-8-13)11-15(16)14-5-3-2-4-6-14/h2-6,13,15-16,18H,7-12H2,1H3,(H,19,21)/t15-,16+/m1/s1
InChIKeyQCTUVAWCWAKVJH-CVEARBPZSA-N
XLogP0.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(cyclopropylmethyl)-4-phenylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide?
The IUPAC name of N-[(3R,4S)-1-(cyclopropylmethyl)-4-phenylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide (CID 72842364) is N-[(3R,4S)-1-(cyclopropylmethyl)-4-phenylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide.
What is the SMILES notation for N-[(3R,4S)-1-(cyclopropylmethyl)-4-phenylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide?
The canonical SMILES for N-[(3R,4S)-1-(cyclopropylmethyl)-4-phenylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide is CS(=O)(=O)NCC(=O)N[C@H]1CN(CC2CC2)C[C@@H]1c1ccccc1.
What is the InChIKey of N-[(3R,4S)-1-(cyclopropylmethyl)-4-phenylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide?
The InChIKey is QCTUVAWCWAKVJH-CVEARBPZSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-24(22,23)18-9-17(21)19-16-12-20(10-13-7-8-13)11-15(16)14-5-3-2-4-6-14/h2-6,13,15-16,18H,7-12H2,1H3,(H,19,21)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-1-(cyclopropylmethyl)-4-phenylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide?
N-[(3R,4S)-1-(cyclopropylmethyl)-4-phenylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide has a molecular weight of 351.47 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(cyclopropylmethyl)-4-phenylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide is sourced from PubChem (CID 72842364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).