1-propan-2-yl-4-(sulfinatoamino)piperidine

C8H17N2O2S- — CID 68951153

IUPAC1-propan-2-yl-4-(sulfinatoamino)piperidine
SMILESCC(C)N1CCC(NS(=O)[O-])CC1
InChIInChI=1S/C8H18N2O2S/c1-7(2)10-5-3-8(4-6-10)9-13(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/p-1
InChIKeySBJRFKGVIDHVKV-UHFFFAOYSA-M
MW205.30 g/mol
LogP0.24
Rot. Bonds3

About 1-propan-2-yl-4-(sulfinatoamino)piperidine

1-propan-2-yl-4-(sulfinatoamino)piperidine (PubChem CID 68951153) has the molecular formula C8H17N2O2S- and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-propan-2-yl-4-(sulfinatoamino)piperidine.

Molecular Properties

Compound Name1-propan-2-yl-4-(sulfinatoamino)piperidine
PubChem CID68951153
Molecular FormulaC8H17N2O2S-
Molecular Weight205.30 g/mol
Exact Mass205.10
IUPAC Name1-propan-2-yl-4-(sulfinatoamino)piperidine
SMILESCC(C)N1CCC(NS(=O)[O-])CC1
InChIInChI=1S/C8H18N2O2S/c1-7(2)10-5-3-8(4-6-10)9-13(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/p-1
InChIKeySBJRFKGVIDHVKV-UHFFFAOYSA-M
XLogP0.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Ethylpiperidin-4-amine
CID 3734990
1-(Propan-2-yl)piperidin-4-amine
CID 3163333
N,N-diethylpiperidin-4-amine
CID 2758239
N,N-dipropylpiperidin-4-amine
CID 3824021
1-Butylpiperidin-4-amine
CID 12262820
1-Propylpiperidin-4-amine
CID 541730
1-(3-Aminopropyl)-2-pipecoline
CID 520211
4-Aminopiperidine-1-sulfonamide hydrochloride
CID 91623604
N-methyl-1-(propan-2-yl)piperidin-4-amine
CID 3159676
1-Ethyl-N-methyl-4-piperidinamine
CID 16770471
3-(Piperidin-1-yl)butan-1-amine
CID 21890114
N-methyl-N-(propan-2-yl)piperidin-4-amine
CID 22047761

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(sulfinatoamino)piperidine?
The IUPAC name of 1-propan-2-yl-4-(sulfinatoamino)piperidine (CID 68951153) is 1-propan-2-yl-4-(sulfinatoamino)piperidine.
What is the SMILES notation for 1-propan-2-yl-4-(sulfinatoamino)piperidine?
The canonical SMILES for 1-propan-2-yl-4-(sulfinatoamino)piperidine is CC(C)N1CCC(NS(=O)[O-])CC1.
What is the InChIKey of 1-propan-2-yl-4-(sulfinatoamino)piperidine?
The InChIKey is SBJRFKGVIDHVKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18N2O2S/c1-7(2)10-5-3-8(4-6-10)9-13(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/p-1.
What are the key properties of 1-propan-2-yl-4-(sulfinatoamino)piperidine?
1-propan-2-yl-4-(sulfinatoamino)piperidine has a molecular weight of 205.30 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(sulfinatoamino)piperidine is sourced from PubChem (CID 68951153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).