(3S)-N-tert-butyl-3-methylsulfonylpyrrolidine-1-carboxamide

C10H20N2O3S — CID 97354857

IUPAC(3S)-N-tert-butyl-3-methylsulfonylpyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC[C@H](S(C)(=O)=O)C1
InChIInChI=1S/C10H20N2O3S/c1-10(2,3)11-9(13)12-6-5-8(7-12)16(4,14)15/h8H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1
InChIKeyLZYRZEOECAWSEE-QMMMGPOBSA-N
MW248.35 g/mol
LogP0.61
Rot. Bonds1

About (3S)-N-tert-butyl-3-methylsulfonylpyrrolidine-1-carboxamide

(3S)-N-tert-butyl-3-methylsulfonylpyrrolidine-1-carboxamide (PubChem CID 97354857) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is (3S)-N-tert-butyl-3-methylsulfonylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-tert-butyl-3-methylsulfonylpyrrolidine-1-carboxamide
PubChem CID97354857
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name(3S)-N-tert-butyl-3-methylsulfonylpyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC[C@H](S(C)(=O)=O)C1
InChIInChI=1S/C10H20N2O3S/c1-10(2,3)11-9(13)12-6-5-8(7-12)16(4,14)15/h8H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1
InChIKeyLZYRZEOECAWSEE-QMMMGPOBSA-N
XLogP0.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-1-carboxamide
CID 2906114
1-Isopropyl-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea
CID 2831179
N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea
CID 93913810
1,1-Dibutyl-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea
CID 2831178
(S)-3-(3,3-dibutylureido)-3-methyl-1lambda-tetrahydro-1H-thiophene-1,1-dione
CID 40481427
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-isopropyl-1-methylurea
CID 47236061
N-(2-ethylsulfonylethyl)pyrrolidine-1-carboxamide
CID 60235265
N-(2-tert-butylsulfonylethyl)-3-methylpyrrolidine-1-carboxamide
CID 71867721
N-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide
CID 71898013
1-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-pentylurea
CID 97098341
1-Butyl-3-(1,1-dioxidotetrahydrothiophen-3-yl)urea
CID 3091621
1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-3-propan-2-ylurea
CID 93913811

Frequently Asked Questions

What is the IUPAC name of (3S)-N-tert-butyl-3-methylsulfonylpyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-tert-butyl-3-methylsulfonylpyrrolidine-1-carboxamide (CID 97354857) is (3S)-N-tert-butyl-3-methylsulfonylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-tert-butyl-3-methylsulfonylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-tert-butyl-3-methylsulfonylpyrrolidine-1-carboxamide is CC(C)(C)NC(=O)N1CC[C@H](S(C)(=O)=O)C1.
What is the InChIKey of (3S)-N-tert-butyl-3-methylsulfonylpyrrolidine-1-carboxamide?
The InChIKey is LZYRZEOECAWSEE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-10(2,3)11-9(13)12-6-5-8(7-12)16(4,14)15/h8H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1.
What are the key properties of (3S)-N-tert-butyl-3-methylsulfonylpyrrolidine-1-carboxamide?
(3S)-N-tert-butyl-3-methylsulfonylpyrrolidine-1-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-tert-butyl-3-methylsulfonylpyrrolidine-1-carboxamide is sourced from PubChem (CID 97354857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).