1-(3-cyclopropylsulfinylpropyl)azetidin-3-amine

C9H18N2OS — CID 84671011

IUPAC1-(3-cyclopropylsulfinylpropyl)azetidin-3-amine
SMILESNC1CN(CCCS(=O)C2CC2)C1
InChIInChI=1S/C9H18N2OS/c10-8-6-11(7-8)4-1-5-13(12)9-2-3-9/h8-9H,1-7,10H2
InChIKeySSXUZIAAKWULTJ-UHFFFAOYSA-N
MW202.32 g/mol
LogP-0.07
Rot. Bonds5

About 1-(3-cyclopropylsulfinylpropyl)azetidin-3-amine

1-(3-cyclopropylsulfinylpropyl)azetidin-3-amine (PubChem CID 84671011) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-(3-cyclopropylsulfinylpropyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(3-cyclopropylsulfinylpropyl)azetidin-3-amine
PubChem CID84671011
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name1-(3-cyclopropylsulfinylpropyl)azetidin-3-amine
SMILESNC1CN(CCCS(=O)C2CC2)C1
InChIInChI=1S/C9H18N2OS/c10-8-6-11(7-8)4-1-5-13(12)9-2-3-9/h8-9H,1-7,10H2
InChIKeySSXUZIAAKWULTJ-UHFFFAOYSA-N
XLogP-0.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropylsulfinylpropyl)piperazine
CID 84682171
1-(3-fluoropropyl)azetidin-3-amine
CID 81113645
3-(4-aminopiperidin-1-yl)propane-1-sulfinate
CID 84674665
2-cyclopropylsulfinylethanamine
CID 58684877
1-(2-butoxyethyl)azetidin-3-amine
CID 63760521
(3-aminopiperidin-1-yl)methanesulfinate
CID 174645324
3-(3-aminopyrrolidin-1-yl)propane-1-thiol
CID 84651115
1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-amine
CID 82891814
4-(3-aminopyrrolidin-1-yl)butanoic acid
CID 62069212
1-butylpyrrolidin-3-amine;dihydrochloride
CID 146675552
[(3S)-3-aminopyrrolidin-1-yl]methanesulfinic acid
CID 174569351
3-(3-aminoazetidin-1-yl)propanoic acid
CID 65249489

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylsulfinylpropyl)azetidin-3-amine?
The IUPAC name of 1-(3-cyclopropylsulfinylpropyl)azetidin-3-amine (CID 84671011) is 1-(3-cyclopropylsulfinylpropyl)azetidin-3-amine.
What is the SMILES notation for 1-(3-cyclopropylsulfinylpropyl)azetidin-3-amine?
The canonical SMILES for 1-(3-cyclopropylsulfinylpropyl)azetidin-3-amine is NC1CN(CCCS(=O)C2CC2)C1.
What is the InChIKey of 1-(3-cyclopropylsulfinylpropyl)azetidin-3-amine?
The InChIKey is SSXUZIAAKWULTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c10-8-6-11(7-8)4-1-5-13(12)9-2-3-9/h8-9H,1-7,10H2.
What are the key properties of 1-(3-cyclopropylsulfinylpropyl)azetidin-3-amine?
1-(3-cyclopropylsulfinylpropyl)azetidin-3-amine has a molecular weight of 202.32 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylsulfinylpropyl)azetidin-3-amine is sourced from PubChem (CID 84671011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).