N-cycloheptyl-2-[(3R,4S)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidin-1-yl]acetamide

C17H33N3O3S — CID 72888251

IUPACN-cycloheptyl-2-[(3R,4S)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidin-1-yl]acetamide
SMILESCC(C)[C@H]1CN(CC(=O)NC2CCCCCC2)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C17H33N3O3S/c1-13(2)15-10-20(11-16(15)19-24(3,22)23)12-17(21)18-14-8-6-4-5-7-9-14/h13-16,19H,4-12H2,1-3H3,(H,18,21)/t15-,16+/m1/s1
InChIKeyXDPHBTRAAQKHKB-CVEARBPZSA-N
MW359.54 g/mol
LogP1.33
Rot. Bonds6

About N-cycloheptyl-2-[(3R,4S)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidin-1-yl]acetamide

N-cycloheptyl-2-[(3R,4S)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidin-1-yl]acetamide (PubChem CID 72888251) has the molecular formula C17H33N3O3S and a molecular weight of 359.54 g/mol. Its IUPAC name is N-cycloheptyl-2-[(3R,4S)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(3R,4S)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidin-1-yl]acetamide
PubChem CID72888251
Molecular FormulaC17H33N3O3S
Molecular Weight359.54 g/mol
Exact Mass359.22
IUPAC NameN-cycloheptyl-2-[(3R,4S)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidin-1-yl]acetamide
SMILESCC(C)[C@H]1CN(CC(=O)NC2CCCCCC2)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C17H33N3O3S/c1-13(2)15-10-20(11-16(15)19-24(3,22)23)12-17(21)18-14-8-6-4-5-7-9-14/h13-16,19H,4-12H2,1-3H3,(H,18,21)/t15-,16+/m1/s1
InChIKeyXDPHBTRAAQKHKB-CVEARBPZSA-N
XLogP1.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(3R,4S)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[(3R,4S)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidin-1-yl]acetamide (CID 72888251) is N-cycloheptyl-2-[(3R,4S)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(3R,4S)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(3R,4S)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidin-1-yl]acetamide is CC(C)[C@H]1CN(CC(=O)NC2CCCCCC2)C[C@@H]1NS(C)(=O)=O.
What is the InChIKey of N-cycloheptyl-2-[(3R,4S)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidin-1-yl]acetamide?
The InChIKey is XDPHBTRAAQKHKB-CVEARBPZSA-N. The full InChI is InChI=1S/C17H33N3O3S/c1-13(2)15-10-20(11-16(15)19-24(3,22)23)12-17(21)18-14-8-6-4-5-7-9-14/h13-16,19H,4-12H2,1-3H3,(H,18,21)/t15-,16+/m1/s1.
What are the key properties of N-cycloheptyl-2-[(3R,4S)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidin-1-yl]acetamide?
N-cycloheptyl-2-[(3R,4S)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidin-1-yl]acetamide has a molecular weight of 359.54 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(3R,4S)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 72888251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).