3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine

C12H24N2O2S — CID 63162741

IUPAC3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine
SMILESCCCN(CC1CC1)C1(CN)CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O2S/c1-2-6-14(8-11-3-4-11)12(9-13)5-7-17(15,16)10-12/h11H,2-10,13H2,1H3
InChIKeyKVIZHYBOYXDROV-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.62
Rot. Bonds6

About 3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine

3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine (PubChem CID 63162741) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine
PubChem CID63162741
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine
SMILESCCCN(CC1CC1)C1(CN)CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O2S/c1-2-6-14(8-11-3-4-11)12(9-13)5-7-17(15,16)10-12/h11H,2-10,13H2,1H3
InChIKeyKVIZHYBOYXDROV-UHFFFAOYSA-N
XLogP0.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-1,1-dioxothiolan-3-amine
CID 63956770
4-(aminomethyl)-1,1-dioxo-N,N-dipropylthian-4-amine
CID 54983034
3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine
CID 63163042
3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 63162457
1-(aminomethyl)-N-(cyclopropylmethyl)-3-ethyl-N-propylcyclopentan-1-amine
CID 64501794
1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64750874
1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine
CID 65088620
3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 63162872
1-(aminomethyl)-N-(cyclopropylmethyl)-3-methoxy-N-propylcyclobutan-1-amine
CID 106821887
1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 63485457
3-(aminomethyl)-N-butyl-N-ethyl-1,1-dioxothian-3-amine
CID 63924027
1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759040

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine (CID 63162741) is 3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine is CCCN(CC1CC1)C1(CN)CCS(=O)(=O)C1.
What is the InChIKey of 3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine?
The InChIKey is KVIZHYBOYXDROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-2-6-14(8-11-3-4-11)12(9-13)5-7-17(15,16)10-12/h11H,2-10,13H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine?
3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine has a molecular weight of 260.40 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine is sourced from PubChem (CID 63162741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).