1-[(3,4-dichlorophenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride

C10H12Cl3NO2S — CID 164606977

IUPAC1-[(3,4-dichlorophenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(CS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C10H11Cl2NO2S.ClH/c11-8-2-1-7(5-9(8)12)16(14,15)6-10(13)3-4-10;/h1-2,5H,3-4,6,13H2;1H
InChIKeyBTBOTWHPOOQRSB-UHFFFAOYSA-N
MW316.64 g/mol
LogP2.68
Rot. Bonds3

About 1-[(3,4-dichlorophenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride

1-[(3,4-dichlorophenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride (PubChem CID 164606977) has the molecular formula C10H12Cl3NO2S and a molecular weight of 316.64 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride
PubChem CID164606977
Molecular FormulaC10H12Cl3NO2S
Molecular Weight316.64 g/mol
Exact Mass314.97
IUPAC Name1-[(3,4-dichlorophenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(CS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C10H11Cl2NO2S.ClH/c11-8-2-1-7(5-9(8)12)16(14,15)6-10(13)3-4-10;/h1-2,5H,3-4,6,13H2;1H
InChIKeyBTBOTWHPOOQRSB-UHFFFAOYSA-N
XLogP2.68
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.64
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-[(3,4-dichlorophenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride (CID 164606977) is 1-[(3,4-dichlorophenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-[(3,4-dichlorophenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride is Cl.NC1(CS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride?
The InChIKey is BTBOTWHPOOQRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2S.ClH/c11-8-2-1-7(5-9(8)12)16(14,15)6-10(13)3-4-10;/h1-2,5H,3-4,6,13H2;1H.
What are the key properties of 1-[(3,4-dichlorophenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride?
1-[(3,4-dichlorophenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride has a molecular weight of 316.64 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 164606977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).