1-amino-N-propylsulfonylcyclohexane-1-carboxamide

C10H20N2O3S — CID 103307202

IUPAC1-amino-N-propylsulfonylcyclohexane-1-carboxamide
SMILESCCCS(=O)(=O)NC(=O)C1(N)CCCCC1
InChIInChI=1S/C10H20N2O3S/c1-2-8-16(14,15)12-9(13)10(11)6-4-3-5-7-10/h2-8,11H2,1H3,(H,12,13)
InChIKeyWNBBLMCVGHUUKJ-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.50
Rot. Bonds4

About 1-amino-N-propylsulfonylcyclohexane-1-carboxamide

1-amino-N-propylsulfonylcyclohexane-1-carboxamide (PubChem CID 103307202) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-amino-N-propylsulfonylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-propylsulfonylcyclohexane-1-carboxamide
PubChem CID103307202
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name1-amino-N-propylsulfonylcyclohexane-1-carboxamide
SMILESCCCS(=O)(=O)NC(=O)C1(N)CCCCC1
InChIInChI=1S/C10H20N2O3S/c1-2-8-16(14,15)12-9(13)10(11)6-4-3-5-7-10/h2-8,11H2,1H3,(H,12,13)
InChIKeyWNBBLMCVGHUUKJ-UHFFFAOYSA-N
XLogP0.50
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R)-1-amino-N-(cyclopropylsulfonyl)-2-ethylcyclopropanecarboxamide
CID 53465517
2-(Cyclohexylmethylsulfonylamino)-3-methylpentanamide
CID 56791547
1-(Methanesulfonamido)cyclohexane-1-carboxamide
CID 47410821
trans-(1S,2S)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide
CID 57389368
trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide
CID 57463497
(1R)-1-amino-4,4-dioxo-4lambda6-thia-3-azabicyclo[10.1.0]tridecan-2-one
CID 59127680
(1R)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide
CID 59319347
(2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide
CID 59319418
(2R)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide
CID 59319430
(1R,12R)-1-amino-4,4-dioxo-4lambda6-thia-3-azabicyclo[10.1.0]tridecan-2-one
CID 59584959
cis-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide
CID 59856500
1-Amino-4,4-dioxo-4lambda6-thia-3-azabicyclo[10.1.0]tridecan-2-one
CID 66782543

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-propylsulfonylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-propylsulfonylcyclohexane-1-carboxamide (CID 103307202) is 1-amino-N-propylsulfonylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-propylsulfonylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-propylsulfonylcyclohexane-1-carboxamide is CCCS(=O)(=O)NC(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-propylsulfonylcyclohexane-1-carboxamide?
The InChIKey is WNBBLMCVGHUUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-2-8-16(14,15)12-9(13)10(11)6-4-3-5-7-10/h2-8,11H2,1H3,(H,12,13).
What are the key properties of 1-amino-N-propylsulfonylcyclohexane-1-carboxamide?
1-amino-N-propylsulfonylcyclohexane-1-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-propylsulfonylcyclohexane-1-carboxamide is sourced from PubChem (CID 103307202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).