(2R)-N-(2-adamantyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide

C17H28N2O3S — CID 97185532

IUPAC(2R)-N-(2-adamantyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCN(C(=O)[C@H]1CCCN1S(C)(=O)=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H28N2O3S/c1-18(17(20)15-4-3-5-19(15)23(2,21)22)16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,3-10H2,1-2H3/t11?,12?,13?,14?,15-,16?/m1/s1
InChIKeyDQTFNSMLIHNQGD-BAPHQMLMSA-N
MW340.49 g/mol
LogP1.69
Rot. Bonds3

About (2R)-N-(2-adamantyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide

(2R)-N-(2-adamantyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 97185532) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is (2R)-N-(2-adamantyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-adamantyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID97185532
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name(2R)-N-(2-adamantyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCN(C(=O)[C@H]1CCCN1S(C)(=O)=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H28N2O3S/c1-18(17(20)15-4-3-5-19(15)23(2,21)22)16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,3-10H2,1-2H3/t11?,12?,13?,14?,15-,16?/m1/s1
InChIKeyDQTFNSMLIHNQGD-BAPHQMLMSA-N
XLogP1.69
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-methyl-N-(4-methylcyclohexyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 95294312
N-(2-adamantyl)-N-methylcyclohexanecarboxamide
CID 78858578
N-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 114230556
ethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate
CID 55003930
2-[(1-methylsulfonylpyrrolidine-2-carbonyl)-prop-2-ynylamino]acetic acid
CID 79278285
2-[ethyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 62817339
4-[[methyl-[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 125148660
N-(1-adamantylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17449841
4-[methyl-(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoic acid
CID 43360144
1-methylsulfonylpiperidine-2-carboxamide
CID 43236894
3-[cyclopropyl-(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 60845046
N-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide
CID 55149876

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-adamantyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-adamantyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide (CID 97185532) is (2R)-N-(2-adamantyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-adamantyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-adamantyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide is CN(C(=O)[C@H]1CCCN1S(C)(=O)=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of (2R)-N-(2-adamantyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is DQTFNSMLIHNQGD-BAPHQMLMSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-18(17(20)15-4-3-5-19(15)23(2,21)22)16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,3-10H2,1-2H3/t11?,12?,13?,14?,15-,16?/m1/s1.
What are the key properties of (2R)-N-(2-adamantyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
(2R)-N-(2-adamantyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 340.49 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-adamantyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 97185532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).