N-[3-[3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide

C13H27N3O3S — CID 156603950

IUPACN-[3-[3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide
SMILESCC(C)C1CN(C(=O)CCNS(C)(=O)=O)CC1N(C)C
InChIInChI=1S/C13H27N3O3S/c1-10(2)11-8-16(9-12(11)15(3)4)13(17)6-7-14-20(5,18)19/h10-12,14H,6-9H2,1-5H3
InChIKeyUEXJXVDXZOWVNT-UHFFFAOYSA-N
MW305.44 g/mol
LogP-0.03
Rot. Bonds6

About N-[3-[3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide

N-[3-[3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide (PubChem CID 156603950) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide
PubChem CID156603950
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-[3-[3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide
SMILESCC(C)C1CN(C(=O)CCNS(C)(=O)=O)CC1N(C)C
InChIInChI=1S/C13H27N3O3S/c1-10(2)11-8-16(9-12(11)15(3)4)13(17)6-7-14-20(5,18)19/h10-12,14H,6-9H2,1-5H3
InChIKeyUEXJXVDXZOWVNT-UHFFFAOYSA-N
XLogP-0.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-[3-[3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide (CID 156603950) is N-[3-[3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-[3-[3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide is CC(C)C1CN(C(=O)CCNS(C)(=O)=O)CC1N(C)C.
What is the InChIKey of N-[3-[3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide?
The InChIKey is UEXJXVDXZOWVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-10(2)11-8-16(9-12(11)15(3)4)13(17)6-7-14-20(5,18)19/h10-12,14H,6-9H2,1-5H3.
What are the key properties of N-[3-[3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide?
N-[3-[3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide has a molecular weight of 305.44 g/mol, XLogP of -0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 156603950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).