N,N-dimethyl-3-[2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)imidazol-1-yl]propan-1-amine

C17H31N5O2S — CID 72862722

IUPACN,N-dimethyl-3-[2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)imidazol-1-yl]propan-1-amine
SMILESCN(C)CCCn1ccnc1C1CCCN(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C17H31N5O2S/c1-19(2)9-6-10-20-14-8-18-17(20)16-7-5-13-22(15-16)25(23,24)21-11-3-4-12-21/h8,14,16H,3-7,9-13,15H2,1-2H3
InChIKeyODAFEKBWCRBDGT-UHFFFAOYSA-N
MW369.54 g/mol
LogP1.35
Rot. Bonds7

About N,N-dimethyl-3-[2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)imidazol-1-yl]propan-1-amine

N,N-dimethyl-3-[2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)imidazol-1-yl]propan-1-amine (PubChem CID 72862722) has the molecular formula C17H31N5O2S and a molecular weight of 369.54 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)imidazol-1-yl]propan-1-amine
PubChem CID72862722
Molecular FormulaC17H31N5O2S
Molecular Weight369.54 g/mol
Exact Mass369.22
IUPAC NameN,N-dimethyl-3-[2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)imidazol-1-yl]propan-1-amine
SMILESCN(C)CCCn1ccnc1C1CCCN(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C17H31N5O2S/c1-19(2)9-6-10-20-14-8-18-17(20)16-7-5-13-22(15-16)25(23,24)21-11-3-4-12-21/h8,14,16H,3-7,9-13,15H2,1-2H3
InChIKeyODAFEKBWCRBDGT-UHFFFAOYSA-N
XLogP1.35
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)imidazol-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)imidazol-1-yl]propan-1-amine (CID 72862722) is N,N-dimethyl-3-[2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)imidazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)imidazol-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)imidazol-1-yl]propan-1-amine is CN(C)CCCn1ccnc1C1CCCN(S(=O)(=O)N2CCCC2)C1.
What is the InChIKey of N,N-dimethyl-3-[2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)imidazol-1-yl]propan-1-amine?
The InChIKey is ODAFEKBWCRBDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2S/c1-19(2)9-6-10-20-14-8-18-17(20)16-7-5-13-22(15-16)25(23,24)21-11-3-4-12-21/h8,14,16H,3-7,9-13,15H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)imidazol-1-yl]propan-1-amine?
N,N-dimethyl-3-[2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)imidazol-1-yl]propan-1-amine has a molecular weight of 369.54 g/mol, XLogP of 1.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 72862722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).