1-cyclopropyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine

C10H20N2S — CID 43655050

IUPAC1-cyclopropyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
SMILESCN(C1CCSC1)C(CN)C1CC1
InChIInChI=1S/C10H20N2S/c1-12(9-4-5-13-7-9)10(6-11)8-2-3-8/h8-10H,2-7,11H2,1H3
InChIKeyJOZXCRQRHXGLKY-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.16
Rot. Bonds4

About 1-cyclopropyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine

1-cyclopropyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 43655050) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID43655050
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name1-cyclopropyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
SMILESCN(C1CCSC1)C(CN)C1CC1
InChIInChI=1S/C10H20N2S/c1-12(9-4-5-13-7-9)10(6-11)8-2-3-8/h8-10H,2-7,11H2,1H3
InChIKeyJOZXCRQRHXGLKY-UHFFFAOYSA-N
XLogP1.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine
CID 131067548
4-(ethylsulfanylmethyl)-N,N-dimethylpyrrolidin-3-amine
CID 53776738
N-cyclopropyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
CID 54065759
N'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine
CID 70458048
N,N-dimethyl-3-[(propan-2-ylamino)methyl]thiolan-3-amine
CID 115906079
5-Methylpiperidin-3-amine;thiolane
CID 153331161
N-cyclopropyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine
CID 173364796
3-(aminomethyl)-N-methyl-N-propan-2-ylthiolan-3-amine
CID 24691049
2-N,2-N,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine
CID 43205440
3-methyl-N-(3-methylsulfanylpropyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 43207855
2-N,2-N,4-trimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine
CID 43207883
2-N,2-N,4-trimethyl-1-N-(3-methylsulfanylpropyl)pentane-1,2-diamine
CID 43207968

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine (CID 43655050) is 1-cyclopropyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine is CN(C1CCSC1)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is JOZXCRQRHXGLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-12(9-4-5-13-7-9)10(6-11)8-2-3-8/h8-10H,2-7,11H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 200.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 43655050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).