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

C9H19NO2S — CID 115626115

IUPACN-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine
SMILESCCS(=O)(=O)CC(C)NCC1CC1
InChIInChI=1S/C9H19NO2S/c1-3-13(11,12)7-8(2)10-6-9-4-5-9/h8-10H,3-7H2,1-2H3
InChIKeyDQCUSBBNJKXBLH-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.81
Rot. Bonds6

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

N-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine (PubChem CID 115626115) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine
PubChem CID115626115
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine
SMILESCCS(=O)(=O)CC(C)NCC1CC1
InChIInChI=1S/C9H19NO2S/c1-3-13(11,12)7-8(2)10-6-9-4-5-9/h8-10H,3-7H2,1-2H3
InChIKeyDQCUSBBNJKXBLH-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
CID 115900963
N-[(4-methylcyclohexyl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629762
2-(cyclopropylmethylamino)propan-1-ol
CID 43560365
1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine
CID 115900849
N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-ethylsulfonylpropan-2-amine
CID 115901263
1-ethylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 115900778
(2R)-2-[(4-propylcyclohexyl)methylamino]propan-1-ol
CID 103896927
2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine
CID 103389347
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629745
N-[(1-cyclopropylcyclopropyl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115901550
N-[(4-methylcyclohexyl)methyl]nonan-2-amine
CID 63464065
N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 86799420

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine (CID 115626115) is N-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine is CCS(=O)(=O)CC(C)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine?
The InChIKey is DQCUSBBNJKXBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-3-13(11,12)7-8(2)10-6-9-4-5-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine?
N-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine has a molecular weight of 205.32 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine is sourced from PubChem (CID 115626115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).