N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide

C15H30N2O3S — CID 156820041

IUPACN-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide
SMILESCNCCCS(=O)(=O)CCCCNC(=O)C1(C(C)C)CC1
InChIInChI=1S/C15H30N2O3S/c1-13(2)15(7-8-15)14(18)17-10-4-5-11-21(19,20)12-6-9-16-3/h13,16H,4-12H2,1-3H3,(H,17,18)
InChIKeyGTUGYQNWNOBXGA-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.34
Rot. Bonds11

About N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide

N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 156820041) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide
PubChem CID156820041
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide
SMILESCNCCCS(=O)(=O)CCCCNC(=O)C1(C(C)C)CC1
InChIInChI=1S/C15H30N2O3S/c1-13(2)15(7-8-15)14(18)17-10-4-5-11-21(19,20)12-6-9-16-3/h13,16H,4-12H2,1-3H3,(H,17,18)
InChIKeyGTUGYQNWNOBXGA-UHFFFAOYSA-N
XLogP1.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide (CID 156820041) is N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide is CNCCCS(=O)(=O)CCCCNC(=O)C1(C(C)C)CC1.
What is the InChIKey of N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is GTUGYQNWNOBXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-13(2)15(7-8-15)14(18)17-10-4-5-11-21(19,20)12-6-9-16-3/h13,16H,4-12H2,1-3H3,(H,17,18).
What are the key properties of N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide?
N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 318.48 g/mol, XLogP of 1.34, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 156820041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).