N-(cyclopropylmethyl)-2-methylsulfinylpropan-1-amine

C8H17NOS — CID 115764167

IUPACN-(cyclopropylmethyl)-2-methylsulfinylpropan-1-amine
SMILESCC(CNCC1CC1)S(C)=O
InChIInChI=1S/C8H17NOS/c1-7(11(2)10)5-9-6-8-3-4-8/h7-9H,3-6H2,1-2H3
InChIKeyZSMKXBMBJZZCLY-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.75
Rot. Bonds5

About N-(cyclopropylmethyl)-2-methylsulfinylpropan-1-amine

N-(cyclopropylmethyl)-2-methylsulfinylpropan-1-amine (PubChem CID 115764167) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methylsulfinylpropan-1-amine
PubChem CID115764167
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN-(cyclopropylmethyl)-2-methylsulfinylpropan-1-amine
SMILESCC(CNCC1CC1)S(C)=O
InChIInChI=1S/C8H17NOS/c1-7(11(2)10)5-9-6-8-3-4-8/h7-9H,3-6H2,1-2H3
InChIKeyZSMKXBMBJZZCLY-UHFFFAOYSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-(cyclopropylmethyl)propan-1-amine
CID 78921560
5-[(2-methylsulfinylpropylamino)methyl]pyrrolidin-2-one
CID 107530001
4-ethyl-N-[(2R)-2-[(R)-methylsulfinyl]propyl]cyclohexane-1-carboxamide
CID 100650066
N-(cyclopropylmethyl)-2-methoxypropan-1-amine
CID 91623791
methyl 2-bromo-3-(2-methylsulfinylpropylamino)propanoate
CID 103265708
N-(cyclopropylmethyl)-2-methylsulfinylethanamine
CID 115632660
trans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol
CID 102731693
N-(1-cyclopentylethyl)-2-methylsulfinylpropan-1-amine
CID 115896146
1-N-(cyclopropylmethyl)-2-N-ethylpropane-1,2-diamine
CID 123270508
3-methylsulfinyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 115887943
1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine
CID 61150629
2-chloro-N-(cyclopentylmethyl)propan-1-amine
CID 65024059

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methylsulfinylpropan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-2-methylsulfinylpropan-1-amine (CID 115764167) is N-(cyclopropylmethyl)-2-methylsulfinylpropan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methylsulfinylpropan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2-methylsulfinylpropan-1-amine is CC(CNCC1CC1)S(C)=O.
What is the InChIKey of N-(cyclopropylmethyl)-2-methylsulfinylpropan-1-amine?
The InChIKey is ZSMKXBMBJZZCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(11(2)10)5-9-6-8-3-4-8/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-2-methylsulfinylpropan-1-amine?
N-(cyclopropylmethyl)-2-methylsulfinylpropan-1-amine has a molecular weight of 175.30 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methylsulfinylpropan-1-amine is sourced from PubChem (CID 115764167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).