N-(methylsulfonimidoyl)-1-(1-propan-2-ylpiperidin-4-yl)methanamine

C10H23N3OS — CID 166562016

IUPACN-(methylsulfonimidoyl)-1-(1-propan-2-ylpiperidin-4-yl)methanamine
SMILES[H]N=S(C)(=O)NCC1CCN(C(C)C)CC1
InChIInChI=1S/C10H23N3OS/c1-9(2)13-6-4-10(5-7-13)8-12-15(3,11)14/h9-10H,4-8H2,1-3H3,(H2,11,12,14)
InChIKeyIWFONOVWBBLXEG-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.29
Rot. Bonds4

About N-(methylsulfonimidoyl)-1-(1-propan-2-ylpiperidin-4-yl)methanamine

N-(methylsulfonimidoyl)-1-(1-propan-2-ylpiperidin-4-yl)methanamine (PubChem CID 166562016) has the molecular formula C10H23N3OS and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(methylsulfonimidoyl)-1-(1-propan-2-ylpiperidin-4-yl)methanamine.

Molecular Properties

Compound NameN-(methylsulfonimidoyl)-1-(1-propan-2-ylpiperidin-4-yl)methanamine
PubChem CID166562016
Molecular FormulaC10H23N3OS
Molecular Weight233.38 g/mol
Exact Mass233.16
IUPAC NameN-(methylsulfonimidoyl)-1-(1-propan-2-ylpiperidin-4-yl)methanamine
SMILES[H]N=S(C)(=O)NCC1CCN(C(C)C)CC1
InChIInChI=1S/C10H23N3OS/c1-9(2)13-6-4-10(5-7-13)8-12-15(3,11)14/h9-10H,4-8H2,1-3H3,(H2,11,12,14)
InChIKeyIWFONOVWBBLXEG-UHFFFAOYSA-N
XLogP1.29
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-imino-oxo-[(1-propan-2-ylpiperidin-4-yl)methyl]-λ6-sulfane
CID 167284371
N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-ium-3-sulfonamide
CID 140917583
N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16887535
4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887580
4-nitro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887533
2,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887555
5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 16887547
5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887571
1-(propan-2-ylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-2-sulfonamide
CID 106017991
methyl 2-(1-propan-2-ylazepan-4-yl)acetate
CID 174154196
3-(1-propan-2-ylpiperidin-4-yl)propanal
CID 83906803
tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate
CID 20801241

Frequently Asked Questions

What is the IUPAC name of N-(methylsulfonimidoyl)-1-(1-propan-2-ylpiperidin-4-yl)methanamine?
The IUPAC name of N-(methylsulfonimidoyl)-1-(1-propan-2-ylpiperidin-4-yl)methanamine (CID 166562016) is N-(methylsulfonimidoyl)-1-(1-propan-2-ylpiperidin-4-yl)methanamine.
What is the SMILES notation for N-(methylsulfonimidoyl)-1-(1-propan-2-ylpiperidin-4-yl)methanamine?
The canonical SMILES for N-(methylsulfonimidoyl)-1-(1-propan-2-ylpiperidin-4-yl)methanamine is [H]N=S(C)(=O)NCC1CCN(C(C)C)CC1.
What is the InChIKey of N-(methylsulfonimidoyl)-1-(1-propan-2-ylpiperidin-4-yl)methanamine?
The InChIKey is IWFONOVWBBLXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3OS/c1-9(2)13-6-4-10(5-7-13)8-12-15(3,11)14/h9-10H,4-8H2,1-3H3,(H2,11,12,14).
What are the key properties of N-(methylsulfonimidoyl)-1-(1-propan-2-ylpiperidin-4-yl)methanamine?
N-(methylsulfonimidoyl)-1-(1-propan-2-ylpiperidin-4-yl)methanamine has a molecular weight of 233.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylsulfonimidoyl)-1-(1-propan-2-ylpiperidin-4-yl)methanamine is sourced from PubChem (CID 166562016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).