N-(3,3-dimethylpiperidin-4-yl)propane-2-sulfinamide

C10H22N2OS — CID 130834899

IUPACN-(3,3-dimethylpiperidin-4-yl)propane-2-sulfinamide
SMILESCC(C)S(=O)NC1CCNCC1(C)C
InChIInChI=1S/C10H22N2OS/c1-8(2)14(13)12-9-5-6-11-7-10(9,3)4/h8-9,11-12H,5-7H2,1-4H3
InChIKeyWBSXJBWQDMEAHL-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.04
Rot. Bonds3

About N-(3,3-dimethylpiperidin-4-yl)propane-2-sulfinamide

N-(3,3-dimethylpiperidin-4-yl)propane-2-sulfinamide (PubChem CID 130834899) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is N-(3,3-dimethylpiperidin-4-yl)propane-2-sulfinamide.

Molecular Properties

Compound NameN-(3,3-dimethylpiperidin-4-yl)propane-2-sulfinamide
PubChem CID130834899
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC NameN-(3,3-dimethylpiperidin-4-yl)propane-2-sulfinamide
SMILESCC(C)S(=O)NC1CCNCC1(C)C
InChIInChI=1S/C10H22N2OS/c1-8(2)14(13)12-9-5-6-11-7-10(9,3)4/h8-9,11-12H,5-7H2,1-4H3
InChIKeyWBSXJBWQDMEAHL-UHFFFAOYSA-N
XLogP1.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-4-propan-2-yloxypiperidine
CID 130533491
2-[(3,3-dimethylpiperidin-4-yl)amino]-N,N-diethylacetamide
CID 114235522
tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate
CID 92980395
3-[(3,3-dimethylpiperidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 114235602
3,3-dimethyl-4-(2-methylpropoxy)piperidine
CID 130533487
N-[2-(azepan-1-yl)ethyl]-3,3-dimethylpiperidin-4-amine
CID 114235418
2-[(3,3-dimethylpiperidin-4-yl)amino]-2-phenylethanol
CID 114235448
N-(2-bromo-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine
CID 114235564
(3,3-dimethylpiperidin-4-yl) N-methylcarbamate
CID 130533515
3,3-dimethyl-4-(trifluoromethyl)piperidine
CID 86775311
1-butan-2-yl-4-(3,3-dimethylpiperidin-4-yl)piperazine
CID 117025059
N-(3-ethylsulfanylcyclopentyl)-3,3-dimethylpiperidin-4-amine
CID 114235583

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylpiperidin-4-yl)propane-2-sulfinamide?
The IUPAC name of N-(3,3-dimethylpiperidin-4-yl)propane-2-sulfinamide (CID 130834899) is N-(3,3-dimethylpiperidin-4-yl)propane-2-sulfinamide.
What is the SMILES notation for N-(3,3-dimethylpiperidin-4-yl)propane-2-sulfinamide?
The canonical SMILES for N-(3,3-dimethylpiperidin-4-yl)propane-2-sulfinamide is CC(C)S(=O)NC1CCNCC1(C)C.
What is the InChIKey of N-(3,3-dimethylpiperidin-4-yl)propane-2-sulfinamide?
The InChIKey is WBSXJBWQDMEAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-8(2)14(13)12-9-5-6-11-7-10(9,3)4/h8-9,11-12H,5-7H2,1-4H3.
What are the key properties of N-(3,3-dimethylpiperidin-4-yl)propane-2-sulfinamide?
N-(3,3-dimethylpiperidin-4-yl)propane-2-sulfinamide has a molecular weight of 218.37 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylpiperidin-4-yl)propane-2-sulfinamide is sourced from PubChem (CID 130834899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).